chempirical

Ginsenoside rg6

C42H70O12CAS 147419-93-0767.01 g/mol

Open in Covalent MOL file
OHHOOOOHOHHOOOHOHOOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C42H70O12
Molar mass
767.01 g/mol
Exact mass
766.4867 Da
logP
2.95Crippen estimate
Polar surface area
198.8 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
9
Stereocentres
S, R, R, R, R, R, S, R, S, R, R, S, S, R, S, S, R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
147419-93-0
SMILES
C=C(CCC=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C
InChIKey
ZVTVWDXRNMHGNY-JOGTXEPTSA-N
InChI
InChI=1S/C42H70O12/c1-20(2)11-10-12-21(3)23-13-16-41(8)29(23)24(44)17-27-40(7)15-14-28(45)39(5,6)36(40)25(18-42(27,41)9)52-38-35(33(49)31(47)26(19-43)53-38)54-37-34(50)32(48)30(46)22(4)51-37/h11,22-38,43-50H,3,10,12-19H2,1-2,4-9H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38+,40+,41+,42+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • β-D-Glucopyranoside, (3β,6α,12β)-3,12-dihydroxydammara-20,24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-
  • (3β,6α,12β)-3,12-Dihydroxydammara-20,24-dien-6-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
  • δ-20(21)-Ginsenoside rg6

Work with Ginsenoside rg6

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ginsenoside rk3364779-15-787 % similar Ginsenoside rg252286-74-579 % similar 20R-Ginsenoside rg280952-72-379 % similar Ginsenoside re52286-59-676 % similar Ginsenoside rf52286-58-573 % similar Ginsenoside rh4174721-08-569 % similar Ginsenoside rh163223-86-968 % similar Ginsenoside 20(R)-rh180952-71-268 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ginsenoside F4181225-33-2 Ginsenoside rg5186763-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook